2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

C12H22Cl2N4O — CID 119550121

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCc1cc(C)n(CC(=O)N(C)C2CCNC2)n1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9-6-10(2)16(14-9)8-12(17)15(3)11-4-5-13-7-11;;/h6,11,13H,4-5,7-8H2,1-3H3;2*1H
InChIKeyIZZXBWJNWOZRID-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.16
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (PubChem CID 119550121) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
PubChem CID119550121
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCc1cc(C)n(CC(=O)N(C)C2CCNC2)n1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9-6-10(2)16(14-9)8-12(17)15(3)11-4-5-13-7-11;;/h6,11,13H,4-5,7-8H2,1-3H3;2*1H
InChIKeyIZZXBWJNWOZRID-UHFFFAOYSA-N
XLogP1.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 104974452
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 63299515
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
CID 55028122
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554748
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553835
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-N-methylacetamide
CID 110127700
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550050
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (CID 119550121) is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is Cc1cc(C)n(CC(=O)N(C)C2CCNC2)n1.Cl.Cl.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The InChIKey is IZZXBWJNWOZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-9-6-10(2)16(14-9)8-12(17)15(3)11-4-5-13-7-11;;/h6,11,13H,4-5,7-8H2,1-3H3;2*1H.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119550121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).